2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid

C10H10FNO4 — CID 107674650

IUPAC2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(O)cc1F)C(=O)O
InChIInChI=1S/C10H10FNO4/c1-5(10(15)16)12-9(14)7-3-2-6(13)4-8(7)11/h2-5,13H,1H3,(H,12,14)(H,15,16)
InChIKeyHRBLJXNWPFEXGV-UHFFFAOYSA-N
MW227.19 g/mol
LogP0.73
Rot. Bonds3

About 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid

2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid (PubChem CID 107674650) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
PubChem CID107674650
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(O)cc1F)C(=O)O
InChIInChI=1S/C10H10FNO4/c1-5(10(15)16)12-9(14)7-3-2-6(13)4-8(7)11/h2-5,13H,1H3,(H,12,14)(H,15,16)
InChIKeyHRBLJXNWPFEXGV-UHFFFAOYSA-N
XLogP0.73
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107675134
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107676814
N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
CID 126774589
N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
CID 103941304
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
(2S)-2-[(2-fluoro-4-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820252
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 24700633
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid (CID 107674650) is 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid is CC(NC(=O)c1ccc(O)cc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid?
The InChIKey is HRBLJXNWPFEXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-5(10(15)16)12-9(14)7-3-2-6(13)4-8(7)11/h2-5,13H,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid?
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid has a molecular weight of 227.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 107674650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).